5-amino-2-(3-methylpiperidin-1-yl)benzamide

C13H19N3O — CID 3154279

IUPAC5-amino-2-(3-methylpiperidin-1-yl)benzamide
SMILESCC1CCCN(c2ccc(N)cc2C(N)=O)C1
InChIInChI=1S/C13H19N3O/c1-9-3-2-6-16(8-9)12-5-4-10(14)7-11(12)13(15)17/h4-5,7,9H,2-3,6,8,14H2,1H3,(H2,15,17)
InChIKeyVYEVJRMTDVDEME-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.60
Rot. Bonds2

About 5-amino-2-(3-methylpiperidin-1-yl)benzamide

5-amino-2-(3-methylpiperidin-1-yl)benzamide (PubChem CID 3154279) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-amino-2-(3-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-(3-methylpiperidin-1-yl)benzamide
PubChem CID3154279
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-amino-2-(3-methylpiperidin-1-yl)benzamide
SMILESCC1CCCN(c2ccc(N)cc2C(N)=O)C1
InChIInChI=1S/C13H19N3O/c1-9-3-2-6-16(8-9)12-5-4-10(14)7-11(12)13(15)17/h4-5,7,9H,2-3,6,8,14H2,1H3,(H2,15,17)
InChIKeyVYEVJRMTDVDEME-UHFFFAOYSA-N
XLogP1.60
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-methylpiperidin-1-yl)benzamide?
The IUPAC name of 5-amino-2-(3-methylpiperidin-1-yl)benzamide (CID 3154279) is 5-amino-2-(3-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 5-amino-2-(3-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 5-amino-2-(3-methylpiperidin-1-yl)benzamide is CC1CCCN(c2ccc(N)cc2C(N)=O)C1.
What is the InChIKey of 5-amino-2-(3-methylpiperidin-1-yl)benzamide?
The InChIKey is VYEVJRMTDVDEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-3-2-6-16(8-9)12-5-4-10(14)7-11(12)13(15)17/h4-5,7,9H,2-3,6,8,14H2,1H3,(H2,15,17).
What are the key properties of 5-amino-2-(3-methylpiperidin-1-yl)benzamide?
5-amino-2-(3-methylpiperidin-1-yl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 3154279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).